I haven't been able to find any documentation over how to use and what the function of the output analysis scripts in the UTILS folder are. Is there documentation out there?
Salvador
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There is unfortunately no documentation for python scripts besides the few desciptions in Examples on our webpage, we have unfortunately did not have time to document the python analysis scripts, However, if you are familiar with python, I believe it is possible to understand how to use the scripts. The main backend is in base.py, that contains class System that contains postions of all particles and is read from configuration and topology using the class in readers.py. You can then write your own script that evaluates this information.
Best regards,
Petr Sulc
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Hello,
I haven't been able to find any documentation over how to use and what the function of the output analysis scripts in the UTILS folder are. Is there documentation out there?
Salvador
Dear Salvador,
There is unfortunately no documentation for python scripts besides the few desciptions in Examples on our webpage, we have unfortunately did not have time to document the python analysis scripts, However, if you are familiar with python, I believe it is possible to understand how to use the scripts. The main backend is in base.py, that contains class System that contains postions of all particles and is read from configuration and topology using the class in readers.py. You can then write your own script that evaluates this information.
Best regards,
Petr Sulc
Dear Petr Sulc,
Ok, well thank you for replying!
Salvador